SCHEMBL9806697

SCHEMBL9806697

O=P(O)(O)C(O)(CCCCC1CCCCN1)P(=O)(O)O

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FDPS P14324 16/20 0.65
GGPS1 O95749 6/20 0.42
PDE3A Q14432 2/20 0.40
HRH3 Q9Y5N1 1/20 0.37
S1PR2 O95136 1/20 0.35
S1PR4 O95977 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
S1PR5 Q9H228 1/20 0.35
LMNA P02545 1/20 0.34
ADRB3 P13945 1/20 0.34
PDE4D Q08499 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9082964 0.95 FDPS (0.67) FDPSGGPS1PDE3AHRH3LMNA
SCHEMBL9084725 0.92 FDPS (0.71) FDPSGGPS1PDE3AHRH3LMNA
SCHEMBL6890158 0.87 FDPS (0.63) FDPSGGPS1PDE3ALMNAADRB3
SCHEMBL8703776 0.79 FDPS (1.00) FDPSPDE3AHRH3LMNAADRB3
SCHEMBL8706931 0.78 FDPS (0.97) FDPSPDE3AHRH3LMNAADRB3
SCHEMBL9806694 0.74 FDPS (0.90) FDPSPDE3ALMNAADRB3PDE4D
Hydrochloric Acid SCHEMBL8465225 0.73 FDPS (0.57) FDPSGGPS1PDE3ALMNAADRB3
SCHEMBL9794690 0.73 FDPS (0.65) FDPSLMNA
SCHEMBL8706934 0.73 FDPS (0.79) FDPSGGPS1LMNA
SCHEMBL27534493 0.71 FDPS (0.46) FDPSHRH3LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0273190-B1 DIPHOSPHORIC ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICALS CONTAINING THEM Roche Diagnostics GmbH (DE) 1991-04-17 EP disclosed
US-4971958-A CALCIUM METABOLISM BOEHRINGER MANNHEIM GMBH (DE) 1990-11-20 US disclosed
EP-0273190-A1 Diphosphoric acid derivatives, process for their preparation and pharmaceuticals containing them Roche Diagnostics GmbH (DE) 1988-07-06 EP disclosed